3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid

Systemtic Name: 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid Openeye Name: 3-[[5-(dimethylamino)-1-naphthyl]sulfonylimino]pentanedioic acid CAS Name: 3-[[5-(dimethylamino)-1-naphthalenyl]sulfonylimino]pentanedioic acid IUPAC Name: 3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid Traditional Name: 3-naphthionyliminoglutaric acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N=C(CC(=O)O)CC(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N=C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H18N2O6S/c1-19(2)14-7-3-6-13-12(14)5-4-8-15(13)26(24,25)18-11(9-16(20)21)10-17(22)23/h3-8H,9-10H2,1-2H3,(H,20,21)(H,22,23)